Synthesis, Characterization, and Effects of Calcium and Magnesium Ions on BSA‐Binding Properties of Novel Quinoxaline Bridged Bis(Benzimidazolium) Salts

Abstract Magnesium and calcium play crucial roles in many physiological processes and have been carried by serum albumin in blood plasma. This protein also helps to regulate the distribution of these ions in cells and tissues. Serum albumin also carries many compounds such as drugs, hormones, and fatty acids. Therefore, binding regime of a drug with albumin may affect the serum albumin level and a certain amount of calcium and magnesium in plasma. Also, the calcium and magnesium concentrations of blood influence the binding properties of all transported materials. Quinoxalines have a significant potential in pharmaceutical chemistry. In this study, we reported the synthesis and characterization of novel quinoxaline bridged bis(benzimidazolium) salts with trifluoromethyl substituents. New compounds were characterized by elemental analysis, 1 H‐NMR, 13 C‐NMR, and IR spectroscopy. The interactions of quinoxaline bridged bis(benzimidazolium) salts with BSA were investigated. The changes of the interactions with the presence of Ca 2+ and Mg 2+ were also studied. The binding constants in the presence of Ca 2+ and Mg 2+ are approximately 10 4 level. Additionally, the interactions between the optimized molecules and BSA were detailed with molecular docking methods. The highest interaction was detected for 2c with −8.33 kcal/mol binding affinity. The binding affinities of other molecules are listed as 2a > 2e > 2d > 2b . H‐bonds were detected for all molecules.